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1227270-68-9 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-phenyl-
CAS No: 1227270-68-9 Catalog No: AG000J7C MDL No:MFCD16875719
Product Description
Catalog Number:
AG000J7C
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-phenyl-
CAS Number:
1227270-68-9
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
MDL Number:
MFCD16875719
IUPAC Name:
6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H10N2O2/c17-14(18)11-8-15-13-10(11)6-7-12(16-13)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
InChI Key:
OYLKOTAHYFCZIA-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1ccc(n2)c1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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